Tutorial # 1

Date: 11 Aug 2006 Concepts: Kinetics, Rate, Batch Reactors, Conversion
1. The gas-phase reaction C 2 H 2  2 H 2   C 2 H 6 occurs in a batch reactor at 1000K. The rate expression
valid at these conditions is found to be  rC2 H 2  10 5 C H2 2 C C2 H 2 gmol / l / min . The reactor has a volume of 1
liter which is maintained during the course of the reaction. The initial composition is 75% H 2, rest C2H2. 0.001
gmol of C2H2 is initially in the reactor.
(a) What is the time taken for 50% conversion of H 2? (b) For 90% conversion of H2?

2 (Davis). Propylene can be produced from propane through the oxydehydrogenation reaction: Propane +
1/2O2 => Propylene + H2O. At atmospheric pressure, what is the fraction of propane converted to propylene at
400, 500 & 600 C if equilibrium is reached at each temperature?
Temp (0C) 400 500 600
Ka 1.16 x 1026 5.34 x 1023 8.31x 1021
The other possible route is the thermal one: Propane => Propylene + H 2. What is the fraction of propane
converted to propylene by this route at the three temperatures, assuming equilibrium is reached at each
temperature? Which route is better for propylene production? (Assume ideal behaviour)
Temp (0C) 400 500 600
Ka 0.000521 0.0104 0.104

3 (Davis). The Diels-Alder reaction of 2,3-dimethyl-1,3-butadiene (DMB) and acrolein produces 3,4-dimethyl-
3-tetrahydro-benzaldehyde. This overall second order reaction was performed in methanol solvent with
equimolar amounts of reactants. Use the data below to evaluate the rate constant.
Temperature (K) Reaction time (hours) [DMB] (mol/L)
323 0 0.097
323 20 0.079
323 40 0.069
323 45 0.068
298 0 0.098
298 74 0.081
298 98 0.078
298 125 0.074
298 170 0.066
278 0 0.093
278 75 0.091
278 110 0.090
278 176 0.088
278 230 0.087

4. The thermal decomposition of hydrogen iodide to hydrogen and iodine is conducted in a batch reactor. The
following data are given
T, 0C 508 427 393 356 283
k, cm3/mol/s 0.1059 0.00310 0.000588 80.9 x 10-6 0.942 x 10-6
Find the complete rate equation, using linear and non-linear data fits.

5 (Levenspiel). Find the overall order of the irreversible reaction 2 H 2  2 NO   N 2  2 H 2 O from the
following constant-volume batch reactor data using equimolar quantities of hydrogen and nitric oxide:
Total pressure, mmHg 200 240 280 320 360
Half life, seconds 265 186 115 104 67

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